CID 64424927

4-fluoro-3-(1h-indole-3-carbonyl)aniline

Structural Information

Molecular Formula
C15H11FN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C3=C(C=CC(=C3)N)F
InChI
InChI=1S/C15H11FN2O/c16-13-6-5-9(17)7-11(13)15(19)12-8-18-14-4-2-1-3-10(12)14/h1-8,18H,17H2
InChIKey
JDBWUUOGIZODHN-UHFFFAOYSA-N
Compound name
(5-amino-2-fluorophenyl)-(1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.08554 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09282 154.2
[M+Na]+ 277.07476 164.3
[M-H]- 253.07826 158.6
[M+NH4]+ 272.11936 171.7
[M+K]+ 293.04870 158.0
[M+H-H2O]+ 237.08280 146.1
[M+HCOO]- 299.08374 176.3
[M+CH3COO]- 313.09939 166.6
[M+Na-2H]- 275.06021 158.3
[M]+ 254.08499 152.1
[M]- 254.08609 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe